Vitas-M small molecule compound
(5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK055139
SMILES C#CCN1C(=O)S/C(=C/c2cc(OC)c(cc2[N+](=O)[O-])OC)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C15H12N2O6S MW 348.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N2O6S/c1-4-5-16-14(18)13(24-15(16)19)7-9-6-11(22-2)12(23-3)8-10(9)17(20)21/h1,6-8H,5H2,2-3H3/b13-7+InChIKey
ZVHHKTFUCHSXCK-NTUHNPAUSA-NSynonyms
(5E)5((45DIMETHOXY2NITROPHENYL)METHYLIDENE)3PROP2YNYL13THIAZOLIDINE24DIONE
(5E)5(45DIMETHOXY2NITROBENZYLIDENE)3(PROP2YN1YL)13THIAZOLIDINE24DIONE
C#CCN1C(=O)SC(=Cc2cc(OC)c(cc2(N+)(=O)(O))OC)C1=O
COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC#C)(N+)(=O)(O))OC
InChI=1SC15H12N2O6Sc1451614(18)13(2415(16)19)79611(222)12(233)810(9)17(20)21h168H5H223H3b137+
MFCD03142963
STK055139
ZINC000001145953
ZINC01145953
ZINC1145953
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